31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane

C30H54N6 — CID 90736283

IUPAC31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane
SMILESC1CC2CC3CCC(CC4CCC(CC5CCC(CC6CCC(CC7CCC(CC1N2)N7)N6)N5)N4)N3
InChIInChI=1S/C30H54N6/c1-2-20-14-22-5-6-24(33-22)16-26-9-10-28(35-26)18-30-12-11-29(36-30)17-27-8-7-25(34-27)15-23-4-3-21(32-23)13-19(1)31-20/h19-36H,1-18H2
InChIKeyXUKPRUFJDNVPFG-UHFFFAOYSA-N
MW498.80 g/mol
LogP3.06
Rot. Bonds

About 31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane

31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane (PubChem CID 90736283) has the molecular formula C30H54N6 and a molecular weight of 498.80 g/mol. Its IUPAC name is 31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane.

Molecular Properties

Compound Name31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane
PubChem CID90736283
Molecular FormulaC30H54N6
Molecular Weight498.80 g/mol
Exact Mass498.44
IUPAC Name31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane
SMILESC1CC2CC3CCC(CC4CCC(CC5CCC(CC6CCC(CC7CCC(CC1N2)N7)N6)N5)N4)N3
InChIInChI=1S/C30H54N6/c1-2-20-14-22-5-6-24(33-22)16-26-9-10-28(35-26)18-30-12-11-29(36-30)17-27-8-7-25(34-27)15-23-4-3-21(32-23)13-19(1)31-20/h19-36H,1-18H2
InChIKeyXUKPRUFJDNVPFG-UHFFFAOYSA-N
XLogP3.06
TPSA72.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.80
LogP ≤ 53.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane?
The IUPAC name of 31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane (CID 90736283) is 31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane.
What is the SMILES notation for 31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane?
The canonical SMILES for 31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane is C1CC2CC3CCC(CC4CCC(CC5CCC(CC6CCC(CC7CCC(CC1N2)N7)N6)N5)N4)N3.
What is the InChIKey of 31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane?
The InChIKey is XUKPRUFJDNVPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54N6/c1-2-20-14-22-5-6-24(33-22)16-26-9-10-28(35-26)18-30-12-11-29(36-30)17-27-8-7-25(34-27)15-23-4-3-21(32-23)13-19(1)31-20/h19-36H,1-18H2.
What are the key properties of 31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane?
31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane has a molecular weight of 498.80 g/mol, XLogP of 3.06, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane is sourced from PubChem (CID 90736283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).